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	hartrees
Energy at 0K	-154.882412
Energy at 298.15K	-154.888993
HF Energy	-154.882412
Nuclear repulsion energy	117.299793

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3421	3088	3.09
2	A₁	3325	3001	33.54
3	A₁	3228	2913	61.54
4	A₁	1673	1510	0.00
5	A₁	1413	1276	1.39
6	A₁	1206	1089	0.00
7	A₁	958	865	0.51
8	A₁	807	728	8.68
9	A₁	476	430	0.91
10	A₂	1300	1174	0.00
11	A₂	1199	1083	0.00
12	A₂	1008	909	0.00
13	A₂	932	841	0.00
14	B₁	3407	3075	7.31
15	B₁	1298	1171	14.75
16	B₁	1243	1122	2.67
17	B₁	1130	1020	4.98
18	B₁	824	744	76.59
19	B₂	3326	3002	21.62
20	B₂	3228	2914	51.09
21	B₂	1631	1472	0.61
22	B₂	1442	1301	1.36
23	B₂	1187	1072	0.88
24	B₂	1030	930	0.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.733	0.000	-0.325
C2	-0.733	0.000	-0.325
C3	0.000	1.126	0.316
C4	0.000	-1.126	0.316
H5	1.439	0.000	-1.129
H6	-1.439	0.000	-1.129
H7	0.000	2.068	-0.209
H8	0.000	-2.068	-0.209
H9	0.000	1.221	1.394
H10	0.000	-1.221	1.394

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.4655	1.4882	1.4882	1.0698	2.3157	2.1973	2.1973	2.2327	2.2327
C2	1.4655		1.4882	1.4882	2.3157	1.0698	2.1973	2.1973	2.2327	2.2327
C3	1.4882	1.4882		2.2511	2.3291	2.3291	1.0788	3.2366	1.0826	2.5828
C4	1.4882	1.4882	2.2511		2.3291	2.3291	3.2366	1.0788	2.5828	1.0826
H5	1.0698	2.3157	2.3291	2.3291		2.8782	2.6824	2.6824	3.1508	3.1508
H6	2.3157	1.0698	2.3291	2.3291	2.8782		2.6824	2.6824	3.1508	3.1508
H7	2.1973	2.1973	1.0788	3.2366	2.6824	2.6824		4.1365	1.8128	3.6593
H8	2.1973	2.1973	3.2366	1.0788	2.6824	2.6824	4.1365		3.6593	1.8128
H9	2.2327	2.2327	1.0826	2.5828	3.1508	3.1508	1.8128	3.6593		2.4427
H10	2.2327	2.2327	2.5828	1.0826	3.1508	3.1508	3.6593	1.8128	2.4427

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.503	C1	C2	C4	60.503
C1	C2	H6	131.316	C1	C3	C2	58.994
C1	C3	H7	116.841	C1	C3	H9	119.732
C1	C4	C2	58.994	C1	C4	H8	116.841
C1	C4	H10	119.732	C2	C1	C3	60.503
C2	C1	C4	60.503	C2	C1	H5	131.316
C2	C3	H7	116.841	C2	C3	H9	119.732
C2	C4	H8	116.841	C2	C4	H10	119.732
C3	C1	C4	98.284	C3	C1	H5	130.435
C3	C2	C4	98.284	C3	C2	H6	130.435
C4	C1	H5	130.435	C4	C2	H6	130.435
H7	C3	H9	114.015	H8	C4	H10	114.015

All results from a given calculation for C₄H₆ (Bicyclo[1.1.0]butane)

using model chemistry: HF/6-31G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.146
2	C	-0.146
3	C	-0.241
4	C	-0.241
5	H	0.145
6	H	0.145
7	H	0.126
8	H	0.126
9	H	0.116
10	H	0.116

<r²>	61.836
(<r²>)^1/2	7.864

All results from a given calculation for C4H6 (Bicyclo[1.1.0]butane)

using model chemistry: HF/6-31G**

States and conformations

All results from a given calculation for C₄H₆ (Bicyclo[1.1.0]butane)